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** Absolute structure probably wrong - invert and repeat refinement **

R1 =  0.0519 for    578 unique reflections after merging for Fourier
Highest peak    0.79  at  0.0173  0.0173  0.0173  [  0.50 A from O3 ]
Deepest hole   -0.30  at  0.0532  0.4976  0.7960  [  0.79 A from O4 ]


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